4-(4-chlorophenyl)-2-(2-cyclopentylidenehydrazin-1-yl)-1,3-thiazole

• ChemBase编号: 154037
• 分子式: C14H14ClN3S
• 平均质量: 291.79906
• 单一同位素质量: 291.05969614
• SMILES: c1cc(ccc1c1csc(n1)NN=C1CCCC1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1csc(n1)NN=C1CCCC1
• InChI: InChI=1S/C14H14ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
• InChIKey: YYTHPXHGWSAKIZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-chlorophenyl)-2-(2-cyclopentylidenehydrazin-1-yl)-1,3-thiazole
• IUPAC传统名: 4-(4-chlorophenyl)-2-(2-cyclopentylidenehydrazin-1-yl)-1,3-thiazole
• 别名: Cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl)hydrazone; CPTH2

登记号

• CAS号: 357649-93-5
• MDL号: MFCD02307488
• PubChem SID: 162248176
• PubChem CID: 25193530

理论计算性质

• Acid pKa: 10.473973
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.9710097
• LogD (pH = 7.4): 5.036934
• Log P: 5.1386533
• 摩尔折射率: 79.6348 cm^3
• 极化性: 31.248936 Å^3
• 极化表面积: 37.28 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: >10 mg/mL
• 外观: white to beige powder

安全信息

• 德国WGK号: nwg
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H14ClN3S

详细说明

Sigma Aldrich - C9873

Biochem/physiol Actions
CPTH2 is a histone acetyltransferase (HAT) inhibitor modulating the Gcn5 network. Histone Acetyltransferase (HAT) inhibitor modulating Gcn5 network. Histone acetyltransferases (HATs) act as transcriptional coactivators. Histone acetylation plays an important role in regulating the chromatin structure and is tightly regulated by two classes of enzyme, histone acetyltransferases (HAT) and histone deacetylases (HDAC). Deregulated HAT and HDAC activity plays a role in the development of a range of cancers. Consequently, inhibitors of these enzymes have potential as anticancer agents.